 | | 2ED | | Name: | N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide | | Formula: | C20 H39 N O3 | | SMILES: | O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)C | | InChi: | InChI=1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h15-16,19-20,22,24H,3-14,17H2,1-2H3,(H,21,23)/b16-15+/t19-,20-/m1/s1 | | Synonyms: | C2-ceramide | | Definition date: | 2009-01-26 | | Last modified: | 2021-03-01 | | Identifier: | N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide |
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 | | 2F0 | | Name: | 2-chloro-5-{[(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide | | Formula: | C19 H21 Cl N4 O3 | | SMILES: | O=C(c1cc(ccc1Cl)NC(=O)NC(c2cccc(C(=NO)C)c2)(C)C)N | | InChi: | InChI=1S/C19H21ClN4O3/c1-11(24-27)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10,27H,1-3H3,(H2,21,25)(H2,22,23,26)/b24-11+ | | Synonyms: | P32 | | Definition date: | 2013-10-03 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-23 | | Identifier: | 2-chloro-5-{[(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide |
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 | | 2G7 | | Name: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-(isobutylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid | | Formula: | C19 H32 N3 O5 P | | SMILES: | O=C(NCC(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | | InChi: | InChI=1S/C19H32N3O5P/c1-14(2)10-17(18(23)20-11-15(3)4)22-28(25,26)13-21-19(24)27-12-16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3,(H,20,23)(H,21,24)(H2,22,25,26)/t17-/m0/s1 | | Synonyms: | N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-methylpropyl)-L-leucinamide | | Definition date: | 2013-10-11 | | Last modified: | 2021-03-01 | | Release date: | 2014-04-02 | | Identifier: | N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-methylpropyl)-L-leucinamide |
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 | | 2GC | | Name: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl)phosphonamidic acid | | Formula: | C23 H32 N3 O5 P | | SMILES: | C(OC(=O)NCP(NC(CC(C)C)C(=O)NCCc1ccccc1)(=O)O)c2ccccc2 | | InChi: | InChI=1S/C23H32N3O5P/c1-18(2)15-21(22(27)24-14-13-19-9-5-3-6-10-19)26-32(29,30)17-25-23(28)31-16-20-11-7-4-8-12-20/h3-12,18,21H,13-17H2,1-2H3,(H,24,27)(H,25,28)(H2,26,29,30)/t21-/m0/s1 | | Synonyms: | N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-phenylethyl)-L-leucinamide | | Definition date: | 2013-10-11 | | Last modified: | 2021-03-01 | | Release date: | 2014-04-02 | | Identifier: | N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-phenylethyl)-L-leucinamide |
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 | | 2GF | | Name: | [(2R,5R)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2H)-yl)-3-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate | | Formula: | C9 H11 Cl N3 O7 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(Cl)=C1)CC2=O | | InChi: | InChI=1S/C9H11ClN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,6-7H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t6-,7-/m1/s1 | | Synonyms: | 5-CHLORO DEOXYCYTIDINE-5'-MONOPHOSPHATE | | Definition date: | 2013-10-15 | | Last modified: | 2021-03-01 | | Release date: | 2013-11-06 | | Identifier: | [(2R,5R)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2H)-yl)-3-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate |
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 | | F0E | | Name: | cyclooctyl ~{N}-[3-[[4-[5-[[(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]carbonylamino]-1~{H}-indazol-3-yl]pyridin-2-yl]carbonylamino]propyl]carbamate | | Formula: | C46 H55 N11 O5 | | SMILES: | O=C(NCCCNC(=O)c1cc(ccn1)c2n[nH]c3ccc(NC(=O)[CH]4CCN(C4)CC(=O)N5CCN(CC5)c6ccc(cc6)c7ncccn7)cc23)OC8CCCCCCC8 | | InChi: | InChI=1S/C46H55N11O5/c58-41(57-26-24-56(25-27-57)36-13-10-32(11-14-36)43-48-18-6-19-49-43)31-55-23-17-34(30-55)44(59)52-35-12-15-39-38(29-35)42(54-53-39)33-16-22-47-40(28-33)45(60)50-20-7-21-51-46(61)62-37-8-4-2-1-3-5-9-37/h6,10-16,18-19,22,28-29,34,37H,1-5,7-9,17,20-21,23-27,30-31H2,(H,50,60)(H,51,61)(H,52,59)(H,53,54)/t34-/m1/s1 | | Synonyms: | HYDROXYETHYLAMINE BACE INHIBITOR | | Definition date: | 2018-05-16 | | Last modified: | 2021-03-01 | | Release date: | 2019-01-02 | | Identifier: | cyclooctyl ~{N}-[3-[[4-[5-[[(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]carbonylamino]-1~{H}-indazol-3-yl]pyridin-2-yl]carbonylamino]propyl]carbamate |
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 | | 2H0 | | Name: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-(isopentylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid | | Formula: | C20 H34 N3 O5 P | | SMILES: | O=C(NCCC(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | | InChi: | InChI=1S/C20H34N3O5P/c1-15(2)10-11-21-19(24)18(12-16(3)4)23-29(26,27)14-22-20(25)28-13-17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3,(H,21,24)(H,22,25)(H2,23,26,27)/t18-/m0/s1 | | Synonyms: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3-methylbutyl)-L-leucinamide | | Definition date: | 2013-10-17 | | Last modified: | 2021-03-01 | | Release date: | 2014-04-02 | | Identifier: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3-methylbutyl)-L-leucinamide |
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 | | F17 | | Name: | N-{[4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)PHENYL]ACETYL}-L-PHENYLALANYL-4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)-L-PHENYLALANINAMIDE | | Formula: | C32 H29 N5 O9 S2 | | SMILES: | O=C5C=C(c1ccc(cc1)CC(=O)NC(C(=O)NC(C(=O)N)Cc3ccc(C2=CC(=O)NS2(=O)=O)cc3)Cc4ccccc4)S(=O)(=O)N5 | | InChi: | InChI=1S/C32H29N5O9S2/c33-31(41)24(14-20-6-10-22(11-7-20)26-17-29(39)36-47(26,43)44)35-32(42)25(15-19-4-2-1-3-5-19)34-28(38)16-21-8-12-23(13-9-21)27-18-30(40)37-48(27,45)46/h1-13,17-18,24-25H,14-16H2,(H2,33,41)(H,34,38)(H,35,42)(H,36,39)(H,37,40)/t24-,25-/m0/s1 | | Synonyms: | ISOTHIAZOLIDANONE ANALOGUE | | Definition date: | 2006-05-04 | | Last modified: | 2021-03-01 | | Identifier: | N-{[4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)phenyl]acetyl}-L-phenylalanyl-4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)-L-phenylalaninamide |
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 | | F18 | | Name: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL | | Formula: | C9 H10 N6 O | | SMILES: | N(=Nc1c(nnc1N)N)c2ccc(O)cc2 | | InChi: | InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)/b13-12- | | Synonyms: | CAN508 | | Definition date: | 2006-05-02 | | Last modified: | 2021-03-01 | | Identifier: | 4-[(Z)-(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol |
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 | | F1H | | Name: | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | | Formula: | C16 H24 N2 O S | | SMILES: | O=C(NC2CCN(Cc1ccccc1)CC2)CCCS | | InChi: | InChI=1S/C16H24N2OS/c19-16(7-4-12-20)17-15-8-10-18(11-9-15)13-14-5-2-1-3-6-14/h1-3,5-6,15,20H,4,7-13H2,(H,17,19) | | Synonyms: | N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide | | Definition date: | 2008-03-10 | | Last modified: | 2021-03-01 | | Identifier: | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide |
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 | | F1K | | Name: | (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide | | Formula: | C15 H22 F N3 O S | | SMILES: | Fc1ccc(cc1)CN2CC(NCC2)C(=O)NCCCS | | InChi: | InChI=1S/C15H22FN3OS/c16-13-4-2-12(3-5-13)10-19-8-7-17-14(11-19)15(20)18-6-1-9-21/h2-5,14,17,21H,1,6-11H2,(H,18,20)/t14-/m0/s1 | | Synonyms: | 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(3-mercapto-propyl)-amide | | Definition date: | 2008-03-25 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide |
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 | | F20 | | Name: | N-BENZOYL-L-PHENYLALANYL-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-L-PHENYLALANINAMIDE | | Formula: | C28 H28 N4 O6 S | | SMILES: | O=C4NS(=O)(=O)C(c1ccc(cc1)CC(C(=O)N)NC(=O)C(NC(=O)c2ccccc2)Cc3ccccc3)C4 | | InChi: | InChI=1S/C28H28N4O6S/c29-26(34)22(15-19-11-13-20(14-12-19)24-17-25(33)32-39(24,37)38)30-28(36)23(16-18-7-3-1-4-8-18)31-27(35)21-9-5-2-6-10-21/h1-14,22-24H,15-17H2,(H2,29,34)(H,30,36)(H,31,35)(H,32,33)/t22-,23-,24-/m0/s1 | | Synonyms: | ISOTHIAZOLIDINONE ANALOG | | Definition date: | 2006-05-04 | | Last modified: | 2021-03-01 | | Identifier: | N-(phenylcarbonyl)-L-phenylalanyl-4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-L-phenylalaninamide |
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 | | F29 | | Name: | 1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE | | Formula: | C21 H17 N7 | | SMILES: | n1nc5c(cc1c3c4ccccn4nc3c2ccccc2)c(nn5CC=C)N | | InChi: | InChI=1S/C21H17N7/c1-2-11-28-21-15(20(22)26-28)13-16(23-24-21)18-17-10-6-7-12-27(17)25-19(18)14-8-4-3-5-9-14/h2-10,12-13H,1,11H2,(H2,22,26) | | Synonyms: | FR296110 | | Definition date: | 2005-03-11 | | Last modified: | 2021-03-01 | | Identifier: | 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-en-1-yl-1H-pyrazolo[3,4-c]pyridazin-3-amine |
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 | | F2N | | Name: | [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[7,8-DIMETHYL-2,4-DIOXO-5-(3-PHENYLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[G]PTERIDIN-10(2H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE | | Formula: | C36 H43 N9 O16 P2 | | SMILES: | O=C(N2c1cc(c(cc1N(C3=C2C(=O)NC(=O)N3)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C)CCc7ccccc7 | | InChi: | InChI=1S/C36H43N9O16P2/c1-17-10-20-21(11-18(17)2)45(25(48)9-8-19-6-4-3-5-7-19)27-33(41-36(53)42-34(27)52)43(20)12-22(46)28(49)23(47)13-58-62(54,55)61-63(56,57)59-14-24-29(50)30(51)35(60-24)44-16-40-26-31(37)38-15-39-32(26)44/h3-7,10-11,15-16,22-24,28-30,35,46-47,49-51H,8-9,12-14H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H2,41,42,52,53)/t22-,23+,24+,28-,29+,30+,35+/m0/s1 | | Synonyms: | 1-HYDRO-5-(3-PHENYLPROPANOYL)-FLAVIN-ADENINE DINUCLEOTIDE | | Definition date: | 2007-06-07 | | Last modified: | 2021-03-01 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-(3-phenylpropanoyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
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 | | 2IW | | Name: | 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(4-methylquinolin-8-yl)benzamide | | Formula: | C26 H21 N3 O3 | | SMILES: | O=C(Nc2c1nccc(c1ccc2)C)c3ccc(cc3)N5C(=O)C6C4C=CC(C4)C6C5=O | | InChi: | InChI=1S/C26H21N3O3/c1-14-11-12-27-23-19(14)3-2-4-20(23)28-24(30)15-7-9-18(10-8-15)29-25(31)21-16-5-6-17(13-16)22(21)26(29)32/h2-12,16-17,21-22H,13H2,1H3,(H,28,30)/t16-,17+,21-,22+ | | Synonyms: | IWR-2 | | Definition date: | 2012-03-06 | | Last modified: | 2021-03-01 | | Identifier: | 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(4-methylquinolin-8-yl)benzamide |
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 | | 2L3 | | Name: | (2R)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid | | Formula: | C11 H10 O5 S | | SMILES: | O=S(=O)(O)C2(C(=O)c1c(cccc1)C(=O)C2)C | | InChi: | InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/t11-/m1/s1 | | Synonyms: | menadione bisulfite | | Definition date: | 2013-11-25 | | Last modified: | 2021-03-01 | | Release date: | 2014-02-19 | | Identifier: | (2R)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid |
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 | | 2LB | | Name: | (2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid | | Formula: | C11 H10 O5 S | | SMILES: | O=S(=O)(O)C2(C(=O)c1c(cccc1)C(=O)C2)C | | InChi: | InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/t11-/m0/s1 | | Synonyms: | menadione bisulfite | | Definition date: | 2013-11-26 | | Last modified: | 2021-03-01 | | Release date: | 2014-02-19 | | Identifier: | (2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid |
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 | | OHL | | Name: | N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide | | Formula: | C15 H17 N3 O5 S | | SMILES: | O=S(=O)(N(Cc1ccncc1)CC(=O)NO)c2ccc(OC)cc2 | | InChi: | InChI=1S/C15H17N3O5S/c1-23-13-2-4-14(5-3-13)24(21,22)18(11-15(19)17-20)10-12-6-8-16-9-7-12/h2-9,20H,10-11H2,1H3,(H,17,19) | | Synonyms: | N-Hydroxy-2-(4-methoxy-N-(pyridine-3-ylmethyl)phenylsulfonamido)acetamide | | Definition date: | 2010-08-20 | | Last modified: | 2021-03-01 | | Identifier: | N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide |
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 | | OHX | | Name: | osmium (III) hexammine | | Formula: | H12 N6 Os | | SMILES: | N[Os](N)(N)(N)(N)N | | InChi: | InChI=1S/6H2N.Os/h6*1H2 | | Synonyms: | osmium(6+) hexaazanide | | Definition date: | 2010-11-30 | | Last modified: | 2021-03-01 | | Identifier: | osmium(6+) hexaazanide |
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 | | OIN | | Name: | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE | | Formula: | C17 H23 N O3 | | SMILES: | O=C(OC2CC1N(C)C(CC1)C2)C(c3ccccc3)CO | | InChi: | InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1 | | Synonyms: | ATROPINE | | Definition date: | 2004-06-01 | | Last modified: | 2021-03-01 | | Identifier: | (3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate |
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 | | OJ2 | | Name: | 1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea | | Formula: | C16 H15 F3 N2 O3 | | SMILES: | OCCc1ccccc1NC(=O)Nc2cccc(OC(F)(F)F)c2 | | InChi: | InChI=1S/C16H15F3N2O3/c17-16(18,19)24-13-6-3-5-12(10-13)20-15(23)21-14-7-2-1-4-11(14)8-9-22/h1-7,10,22H,8-9H2,(H2,20,21,23) | | Synonyms: | 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyloxy)phenyl]urea | | Definition date: | 2020-03-13 | | Last modified: | 2021-03-01 | | Release date: | 2020-10-14 | | Identifier: | 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyloxy)phenyl]urea |
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 | | 2NC | | Name: | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide | | Formula: | C35 H68 N11 O8 | | SMILES: | O=C(NC(C(=O)NC(CCCC)CNC(C(=O)NC(C(=O)NC(C(=O)N)CCCNC(=[NH2+])N)CCC(=O)N)CCCC)C(C)CC)C(NC(=O)C)C(O)C | | InChi: | InChI=1S/C35H67N11O8/c1-7-10-13-23(43-33(53)28(20(4)9-3)46-34(54)29(21(5)47)42-22(6)48)19-41-25(14-11-8-2)31(51)45-26(16-17-27(36)49)32(52)44-24(30(37)50)15-12-18-40-35(38)39/h20-21,23-26,28-29,41,47H,7-19H2,1-6H3,(H2,36,49)(H2,37,50)(H,42,48)(H,43,53)(H,44,52)(H,45,51)(H,46,54)(H4,38,39,40)/p+1/t20-,21+,23-,24-,25-,26-,28-,29-/m0/s1 | | Synonyms: | p2/NC | | Definition date: | 2008-03-24 | | Last modified: | 2021-03-01 | | Identifier: | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide |
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 | | 2NV | | Name: | 3,6,9,12,15-pentaoxaoctadecan-17-amine | | Formula: | C13 H29 N O5 | | SMILES: | NC(C)COCCOCCOCCOCCOCC | | InChi: | InChI=1S/C13H29NO5/c1-3-15-4-5-16-6-7-17-8-9-18-10-11-19-12-13(2)14/h13H,3-12,14H2,1-2H3/t13-/m1/s1 | | Synonyms: | Jeffamine ED-2001 | | Definition date: | 2014-04-21 | | Last modified: | 2021-03-01 | | Release date: | 2014-04-30 | | Identifier: | (17R)-3,6,9,12,15-pentaoxaoctadecan-17-amine |
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 | | OL7 | | Name: | methyl [(1S)-1-cyclohexyl-2-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-2-oxoethyl]carbamate | | Formula: | C42 H57 N7 O10 S | | SMILES: | C6(N3C(CC(Oc2c(nc1c(cc(OC)cc1)n2)C)C3)C(NC5(C(NS(C4(C)CC4)(=O)=O)=O)C(C5)C=CCCCCCC6NC(C(NC(OC)=O)C7CCCCC7)=O)=O)=O | | InChi: | InChI=1S/C42H57N7O10S/c1-25-37(45-32-21-28(57-3)17-18-30(32)43-25)59-29-22-33-35(50)47-42(39(53)48-60(55,56)41(2)19-20-41)23-27(42)15-11-6-5-7-12-16-31(38(52)49(33)24-29)44-36(51)34(46-40(54)58-4)26-13-9-8-10-14-26/h11,15,17-18,21,26-27,29,31,33-34H,5-10,12-14,16,19-20,22-24H2,1-4H3,(H,44,51)(H,46,54)(H,47,50)(H,48,53)/b15-11-/t27-,29-,31+,33+,34+,42-/m1/s1 | | Synonyms: | P4-P5-6 (NR03-68) | | Definition date: | 2019-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-04 | | Identifier: | methyl [(1S)-1-cyclohexyl-2-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-2-oxoethyl]carbamate |
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 | | 2P0 | | Name: | 1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline | | Formula: | C7 H13 N O10 P2 | | SMILES: | O=C(N1C(C(=O)O)CCC1)COP(=O)(O)OP(=O)(O)O | | InChi: | InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/t5-/m0/s1 | | Synonyms: | diphosphoglycolylproline | | Definition date: | 2011-02-24 | | Last modified: | 2021-03-01 | | Identifier: | 1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline |
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